Application of Computational Techniques in Pharmacy and Medicine
The current volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions. It also covers research areas related to structures and properties of drugs (including the calculation and...
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| Other Authors: | , , |
| Language: | English |
| Published: |
Dordrecht :
Springer Netherlands : Imprint: Springer,
2014.
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| Edition: | 1st ed. 2014. |
| Series: | Challenges and Advances in Computational Chemistry and Physics,
17 |
| Subjects: | |
| Online Access: | https://doi.org/10.1007/978-94-017-9257-8 |
Table of Contents:
- 1 Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems
- 2 Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment
- 3 Formation of DNA Lesions, Its Prevention and Repair
- 4 DNA dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design
- 5 Molecular structures, relative stability, and proton affinities of nucleotides: Broad view and novel findings
- 6 Quantum Chemical Approaches in Modeling the Structure of Quadruplex DNA and Its Interaction with Metal Ions and Small Molecules
- 7 Density Functional Theory Calculations of Enzyme-Inhibitor Interactions in Medicinal Chemistry and Drug Design
- 8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
- 9 Polyphenol Glycosides as Potential Remedies in Kidney Stones Therapy. Experimental Research Supported by Computational Studies
- 10 Quantum-Chemical Investigation of Epoxidic Compounds Transformation. Application for In Vitro and In Vivo Processes Modeling
- 11 Computational Toxicology in Drug Discovery: opportunities and limitations
- 12 Consensus Drug Design Using it Microcosm
- 13 Continuous Molecular Fields Approach Applied to Structure-Activity Modeling
- 14 Quantitative Structure-Pharmacokinetic Relationships of Drugs within the Framework of Biopharmaceutics Classification System by Using Simplex Representation of Molecular Structure
- 15 (How to) Profit from Molecular Dynamics-based Ensemble Docking
- 16 Cheminformatics on Crossroad of Eras.